SMILES:
O=C(NC1CCCCC1O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)FMolecular Processing
Molecular formula
C18H16BrClF3N3O2
Molecular weight
478.7
Exact mass
477.0067
XLogP
4.61
TPSA
75.11
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
100.91
Supplementary Information
Obteniendo detalles…
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